Chemical ID: 4558433

CC12CCC(=O)C(=C1CCC3C2CCC4(C3CCC4(C)O)C)Cl
Chemical ID:
4558433
Name [?]:
4-chloro-17-hydroxy-10,13,17-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
SMILES [?]:
CC12CCC(=O)C(=C1CCC3C2CCC4(C3CCC4(C)O)C)Cl
InChi [?]:
InChI=1/C20H29ClO2/c1-18-9-8-16(22)17(21)15(18)5-4-12-13(18)6-10-19(2)14(12)7-11-20(19,3)23/h12-14,23H,4-11H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,22,20,10,9,13,17,4,3,14,18,11,12,16,8,5,7,2,15,19,23,6,21/rA:23cCCCCCOCCCCCCCCCCCCCCOCCl/rB:s1;s2;s3;s4;d5;s5;s2d7;s8;s9;s10;s2s11;s12;s13;s14;s11s15;s16;s17;s15s18;s19;s19;s15;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H29ClO2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:6
ZAP Information [?]
Total:9.35479
Area:482.914
Solvation:-2.71806
Coulombic:-26.7022
Bond Count [?]
All:26
Single:24
Double:2
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:336.896
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.13
LogP (Chemaxon):4.37

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue